4-bromo-6-fluoro-2,2,5-trimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol

C18H25BrFNO — CID 58950909

IUPAC4-bromo-6-fluoro-2,2,5-trimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
SMILESCc1c(F)cc2c(c1Br)CC(C)(C)C2(O)C1CCN(C)CC1
InChIInChI=1S/C18H25BrFNO/c1-11-15(20)9-14-13(16(11)19)10-17(2,3)18(14,22)12-5-7-21(4)8-6-12/h9,12,22H,5-8,10H2,1-4H3
InChIKeyOFYXBRCNUFUYRI-UHFFFAOYSA-N
MW370.31 g/mol
LogP4.01
Rot. Bonds1

About 4-bromo-6-fluoro-2,2,5-trimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol

4-bromo-6-fluoro-2,2,5-trimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol (PubChem CID 58950909) has the molecular formula C18H25BrFNO and a molecular weight of 370.31 g/mol. Its IUPAC name is 4-bromo-6-fluoro-2,2,5-trimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol.

Molecular Properties

Compound Name4-bromo-6-fluoro-2,2,5-trimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
PubChem CID58950909
Molecular FormulaC18H25BrFNO
Molecular Weight370.31 g/mol
Exact Mass369.11
IUPAC Name4-bromo-6-fluoro-2,2,5-trimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
SMILESCc1c(F)cc2c(c1Br)CC(C)(C)C2(O)C1CCN(C)CC1
InChIInChI=1S/C18H25BrFNO/c1-11-15(20)9-14-13(16(11)19)10-17(2,3)18(14,22)12-5-7-21(4)8-6-12/h9,12,22H,5-8,10H2,1-4H3
InChIKeyOFYXBRCNUFUYRI-UHFFFAOYSA-N
XLogP4.01
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.31
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-bromo-6-fluoro-2,2,5-trimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol with MolForge

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Related Compounds

4,7-difluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
CID 58951140
6-bromo-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
CID 58950985
4,6-difluoro-7-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
CID 58951210
5,6-dichloro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
CID 58950978
7-ethenyl-4-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
CID 58951028
8-bromo-5-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3,4-dihydronaphthalen-1-ol
CID 58950910
3-bromo-4-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
CID 141136634
4-fluoro-6-isocyano-7-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
CID 58951142
6-(chloromethyl)-4-fluoro-7-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol;hydrochloride
CID 69350618
7-ethyl-5-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
CID 69351084
7-fluoro-6-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
CID 58951058
3-ethoxy-6-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
CID 151219717

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-fluoro-2,2,5-trimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol?
The IUPAC name of 4-bromo-6-fluoro-2,2,5-trimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol (CID 58950909) is 4-bromo-6-fluoro-2,2,5-trimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol.
What is the SMILES notation for 4-bromo-6-fluoro-2,2,5-trimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol?
The canonical SMILES for 4-bromo-6-fluoro-2,2,5-trimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol is Cc1c(F)cc2c(c1Br)CC(C)(C)C2(O)C1CCN(C)CC1.
What is the InChIKey of 4-bromo-6-fluoro-2,2,5-trimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol?
The InChIKey is OFYXBRCNUFUYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25BrFNO/c1-11-15(20)9-14-13(16(11)19)10-17(2,3)18(14,22)12-5-7-21(4)8-6-12/h9,12,22H,5-8,10H2,1-4H3.
What are the key properties of 4-bromo-6-fluoro-2,2,5-trimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol?
4-bromo-6-fluoro-2,2,5-trimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol has a molecular weight of 370.31 g/mol, XLogP of 4.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-fluoro-2,2,5-trimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol is sourced from PubChem (CID 58950909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).